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N-[2-chloro-4-({[(2E)-3-phenylprop-2-enamido]methanethioyl}amino)phenyl]furan-2-carboxamide

N-[2-chloro-4-({[(2E)-3-phenylprop-2-enamido]methanethioyl}amino)phenyl]furan-2-carboxamide

Formula: C21H16ClN3O3S

SMILES: ClC1=CC(NC(=S)NC(=O)C=CC2=CC=CC=C2)=CC=C1NC(=O)C1=CC=CO1

IUPAC: N-[2-chloro-4-({[(2E)-3-phenylprop-2-enamido]methanethioyl}amino)phenyl]furan-2-carboxamide

InChI: InChI=1S/C21H16ClN3O3S/c22-16-13-15(9-10-17(16)24-20(27)18-7-4-12-28-18)23-21(29)25-19(26)11-8-14-5-2-1-3-6-14/h1-13H,(H,24,27)(H2,23,25,26,29)/b11-8+

Composition: C (59.22%), H (3.79%), Cl (8.32%), N (9.87%), O (11.27%), S (7.53%)

Molar Mass: 425.89

Atom Count: 45

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 425.0600903
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 3
InChIKey HSLNOIMMDBCGMC-DHZHZOJOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.3
Topological Polar Surface Area 83.37
Polarizability 44.19
Ring Count 3
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H16ClN3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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